[(1-methyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)amino] benzoate

Systemtic Name: [(1-methyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)amino] benzoate Openeye Name: [(1-methyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)amino] benzoate CAS Name: benzoic acid [(1-methyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)amino] ester IUPAC Name: [(1-methyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)amino] benzoate Traditional Name: benzoic acid [(1-methyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)amino] ester Formula: C13H17N2O2+ MolecularWeight: 233.28628

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(=CC1)NOC(=O)C2=CC=CC=C2

Isomeric SMILES

C[NH+]1CCC(=CC1)NOC(=O)C2=CC=CC=C2

InChI

InChI=1S/C13H16N2O2/c1-15-9-7-12(8-10-15)14-17-13(16)11-5-3-2-4-6-11/h2-7,14H,8-10H2,1H3/p+1